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5-Hydroxy-1,4-naphthoquinone

CAT: 0572-TRC-H949560-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-H949560-1GSize:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
481-39-0
Synonyms
1,4-Naphthalenedione, 5-hydroxy-; 1,4-Naphthoquinone, 5-hydroxy- (8CI); Juglone (6CI); 1,4-Dihydro-1,4-dioxo-5-hydroxynaphthalene; 5-Hydroxy-1,4-naphthalenedione; 5-Hydroxy-1,4-naphthoquinone; 5-Hydroxynaphthoquinone; 8-Hydroxy-1,4-naphthoquinone; Akhnot; C.I. 75500; C.I. Natural Brown 7; Juglon; NSC 153189; NSC 34266; NSC 622948; Natural Brown 7; Nucin; Regianin; Walnut Extract
Hazard Statement
Toxic if swallowed; UN number: UN2811; Packing Group: III
Purity
>95% (HPLC)
Smiles
Oc1cccc2C(=O)C=CC(=O)c12
Molecular Formula
C10 H6 O3
Molecular Weight
174.15
InChI
InChI=1S/C10H6O3/c11-7-4-5-9(13)10-6(7)2-1-3-8(10)12/h1-5,12H
Additionnal Information
IUPAC name: 5-hydroxynaphthalene-1,4-dione
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Juglone

Juglone is a hydroxy-1,4-naphthoquinone that is 1,4-naphthoquinone in which the hydrogen at position 5 has been replaced by a hydroxy group. A plant-derived 1,4-naphthoquinone with confirmed antibacterial and antitumor activities. It has a role as a geroprotector, a herbicide and a reactive oxygen species generator.

CAS Number481-39-0
PubChem CID3806
IUPAC Name5-hydroxynaphthalene-1,4-dione
Molecular FormulaC10H6O3
Molecular Weight174.15
XLogP1.9
Topological Polar Surface Area54.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count13
Formal Charge0
Complexity280
SMILES
C1=CC2=C(C(=O)C=CC2=O)C(=C1)O
InChI
InChI=1S/C10H6O3/c11-7-4-5-9(13)10-6(7)2-1-3-8(10)12/h1-5,12H
InChIKey
KQPYUDDGWXQXHS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Juglone
CAS: 481-39-0
CID: 3806
Formula: C10H6O3
MW: 174.15
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight174.15
XLogP31.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass174.031694049
Monoisotopic Mass174.031694049
Topological Polar Surface Area54.4 Ų
Heavy Atom Count13
Formal Charge0
Complexity280
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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